1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine

C25H31N7OS — CID 59605427

IUPAC1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2cc3nc(-n4cnc5ccccc54)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C25H31N7OS/c1-29(2)18-7-9-30(10-8-18)16-19-15-21-23(34-19)24(31-11-13-33-14-12-31)28-25(27-21)32-17-26-20-5-3-4-6-22(20)32/h3-6,15,17-18H,7-14,16H2,1-2H3
InChIKeyZOSVUXYDRZPQIL-UHFFFAOYSA-N
MW477.64 g/mol
LogP3.39
Rot. Bonds5

About 1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine

1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine (PubChem CID 59605427) has the molecular formula C25H31N7OS and a molecular weight of 477.64 g/mol. Its IUPAC name is 1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
PubChem CID59605427
Molecular FormulaC25H31N7OS
Molecular Weight477.64 g/mol
Exact Mass477.23
IUPAC Name1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(Cc2cc3nc(-n4cnc5ccccc54)nc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C25H31N7OS/c1-29(2)18-7-9-30(10-8-18)16-19-15-21-23(34-19)24(31-11-13-33-14-12-31)28-25(27-21)32-17-26-20-5-3-4-6-22(20)32/h3-6,15,17-18H,7-14,16H2,1-2H3
InChIKeyZOSVUXYDRZPQIL-UHFFFAOYSA-N
XLogP3.39
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.64
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine (CID 59605427) is 1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(Cc2cc3nc(-n4cnc5ccccc54)nc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of 1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is ZOSVUXYDRZPQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7OS/c1-29(2)18-7-9-30(10-8-18)16-19-15-21-23(34-19)24(31-11-13-33-14-12-31)28-25(27-21)32-17-26-20-5-3-4-6-22(20)32/h3-6,15,17-18H,7-14,16H2,1-2H3.
What are the key properties of 1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine?
1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 477.64 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(benzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 59605427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).